1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine

C17H20N6 — CID 95867116

IUPAC1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@H]3C)c12
InChIInChI=1S/C17H20N6/c1-11-7-6-10-23(11)17-14-12(2)21-22(3)16(14)19-15(20-17)13-8-4-5-9-18-13/h4-5,8-9,11H,6-7,10H2,1-3H3/t11-/m1/s1
InChIKeyHFLOZLJBECKNCU-LLVKDONJSA-N
MW308.39 g/mol
LogP2.72
Rot. Bonds2

About 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine

1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 95867116) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
PubChem CID95867116
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@H]3C)c12
InChIInChI=1S/C17H20N6/c1-11-7-6-10-23(11)17-14-12(2)21-22(3)16(14)19-15(20-17)13-8-4-5-9-18-13/h4-5,8-9,11H,6-7,10H2,1-3H3/t11-/m1/s1
InChIKeyHFLOZLJBECKNCU-LLVKDONJSA-N
XLogP2.72
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine (CID 95867116) is 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine is Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@H]3C)c12.
What is the InChIKey of 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is HFLOZLJBECKNCU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-7-6-10-23(11)17-14-12(2)21-22(3)16(14)19-15(20-17)13-8-4-5-9-18-13/h4-5,8-9,11H,6-7,10H2,1-3H3/t11-/m1/s1.
What are the key properties of 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine?
1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 308.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95867116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).